SCHEMBL12101411

SCHEMBL12101411

CO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)C(C)CN(C)C3)N(C(=O)Nc2ccc(Br)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.45
▸ KLKB1 P03952 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ CFD P00746 9/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ APP P05067 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12101303 0.91 F10 (0.52) F10KLKB1CFDAPPBACE1
SCHEMBL13104352 0.89 F10 (0.42) F10KLKB1CFD
SCHEMBL8220410 0.89 F10 (0.42) F10KLKB1CFD
SCHEMBL8220143 0.87 F10 (0.46) F10KLKB1MAPTCFDPOLB
SCHEMBL13104192 0.87 F10 (0.46) F10KLKB1MAPTCFDPOLB
SCHEMBL12371503 0.81 F10 (0.41) F10KLKB1MAPTCFDPOLB
SCHEMBL12101320 0.78 F10 (0.54) F10KLKB1CFD
SCHEMBL12371502 0.77 F10 (0.41) F10KLKB1MAPTCFDPOLB
SCHEMBL12101415 0.76 F10 (0.52) F10KLKB1CFDAPPBACE1
SCHEMBL12101343 0.76 F10 (0.54) F10KLKB1CFDRAB9AAPP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP disclosed
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